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DocumentationIdentifier: MM256117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM256117 |
| SMILES |
CC(O)COCCC(=O)O
|
| InChIKey |
VMYHHNZCNXKUAO-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274609
Similarity: 0.7808
Similarity to MM274609
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33361
Similarity: 0.6712
Similarity to MM33361
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8033 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364571
Similarity: 0.6552
Similarity to MM364571
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7917 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
